3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide

C23H27Cl2N3O2 — CID 58407732

IUPAC3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(OC2CCN(CC3CC3)CC2)nc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N3O2/c24-18-5-6-21(20(25)13-18)27-22(29)7-3-16-4-8-23(26-14-16)30-19-9-11-28(12-10-19)15-17-1-2-17/h4-6,8,13-14,17,19H,1-3,7,9-12,15H2,(H,27,29)
InChIKeyGPKRXNVXVMVRMO-UHFFFAOYSA-N
MW448.39 g/mol
LogP5.21
Rot. Bonds8

About 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide

3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 58407732) has the molecular formula C23H27Cl2N3O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide
PubChem CID58407732
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39 g/mol
Exact Mass447.15
IUPAC Name3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(OC2CCN(CC3CC3)CC2)nc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N3O2/c24-18-5-6-21(20(25)13-18)27-22(29)7-3-16-4-8-23(26-14-16)30-19-9-11-28(12-10-19)15-17-1-2-17/h4-6,8,13-14,17,19H,1-3,7,9-12,15H2,(H,27,29)
InChIKeyGPKRXNVXVMVRMO-UHFFFAOYSA-N
XLogP5.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide
CID 58407734
N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190005
N-(2-chloro-4-methylphenyl)-3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]propanamide;N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide;3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide;3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-difluorophenyl)propanamide;3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(4-isocyanophenyl)propanamide;3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2-methoxy-4-methylphenyl)propanamide;bis(N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-methylindole-1-carboxamide)
CID 159693443
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 45376291
N-[[6-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190049
3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 19038227
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 45376292
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide (CID 58407732) is 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(OC2CCN(CC3CC3)CC2)nc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is GPKRXNVXVMVRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2/c24-18-5-6-21(20(25)13-18)27-22(29)7-3-16-4-8-23(26-14-16)30-19-9-11-28(12-10-19)15-17-1-2-17/h4-6,8,13-14,17,19H,1-3,7,9-12,15H2,(H,27,29).
What are the key properties of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide?
3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 448.39 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 58407732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).