3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide

C18H26Cl2N3OP — CID 134423011

IUPAC3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(CCNPC2CC2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H26Cl2N3OP/c19-15-9-14(10-16(20)11-15)18(24)21-12-13-3-6-23(7-4-13)8-5-22-25-17-1-2-17/h9-11,13,17,22,25H,1-8,12H2,(H,21,24)
InChIKeyCSTCZKLGQQZRHX-UHFFFAOYSA-N
MW402.31 g/mol
LogP3.78
Rot. Bonds8

About 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 134423011) has the molecular formula C18H26Cl2N3OP and a molecular weight of 402.31 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide
PubChem CID134423011
Molecular FormulaC18H26Cl2N3OP
Molecular Weight402.31 g/mol
Exact Mass401.12
IUPAC Name3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(CCNPC2CC2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H26Cl2N3OP/c19-15-9-14(10-16(20)11-15)18(24)21-12-13-3-6-23(7-4-13)8-5-22-25-17-1-2-17/h9-11,13,17,22,25H,1-8,12H2,(H,21,24)
InChIKeyCSTCZKLGQQZRHX-UHFFFAOYSA-N
XLogP3.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 71517047
N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 44540506
3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 146616862
3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 170152750
3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide
CID 69300379
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 121109471
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
CID 170152724
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 130216559
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109940
3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide
CID 170152788

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide (CID 134423011) is 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(CCNPC2CC2)CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is CSTCZKLGQQZRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N3OP/c19-15-9-14(10-16(20)11-15)18(24)21-12-13-3-6-23(7-4-13)8-5-22-25-17-1-2-17/h9-11,13,17,22,25H,1-8,12H2,(H,21,24).
What are the key properties of 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 402.31 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 134423011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).