N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide

C20H31N3O2 — CID 46190005

IUPACN-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(OC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C20H31N3O2/c1-15(2)11-19(24)21-12-17-5-6-20(22-13-17)25-18-7-9-23(10-8-18)14-16-3-4-16/h5-6,13,15-16,18H,3-4,7-12,14H2,1-2H3,(H,21,24)
InChIKeyCODNTCUAXCKTPL-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.00
Rot. Bonds8

About N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide

N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide (PubChem CID 46190005) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
PubChem CID46190005
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(OC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C20H31N3O2/c1-15(2)11-19(24)21-12-17-5-6-20(22-13-17)25-18-7-9-23(10-8-18)14-16-3-4-16/h5-6,13,15-16,18H,3-4,7-12,14H2,1-2H3,(H,21,24)
InChIKeyCODNTCUAXCKTPL-UHFFFAOYSA-N
XLogP3.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190053
N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190094
N-[[6-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190049
N-[[6-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190819
1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 45376291
3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide
CID 58407732
3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide
CID 58407734
(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 45376292
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55801899

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide (CID 46190005) is N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide is CC(C)CC(=O)NCc1ccc(OC2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
The InChIKey is CODNTCUAXCKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)11-19(24)21-12-17-5-6-20(22-13-17)25-18-7-9-23(10-8-18)14-16-3-4-16/h5-6,13,15-16,18H,3-4,7-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide?
N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide has a molecular weight of 345.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 46190005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).