N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide

C20H29ClN2O2 — CID 70747534

IUPACN-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(CO)(CC2CC2)C1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H29ClN2O2/c21-18-4-1-3-17(11-18)13-22-19(25)7-10-23-9-2-8-20(14-23,15-24)12-16-5-6-16/h1,3-4,11,16,24H,2,5-10,12-15H2,(H,22,25)
InChIKeyLUFBKJVVZBAPOU-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.22
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 70747534) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID70747534
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(CO)(CC2CC2)C1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H29ClN2O2/c21-18-4-1-3-17(11-18)13-22-19(25)7-10-23-9-2-8-20(14-23,15-24)12-16-5-6-16/h1,3-4,11,16,24H,2,5-10,12-15H2,(H,22,25)
InChIKeyLUFBKJVVZBAPOU-UHFFFAOYSA-N
XLogP3.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 70747534) is N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide is O=C(CCN1CCCC(CO)(CC2CC2)C1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is LUFBKJVVZBAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c21-18-4-1-3-17(11-18)13-22-19(25)7-10-23-9-2-8-20(14-23,15-24)12-16-5-6-16/h1,3-4,11,16,24H,2,5-10,12-15H2,(H,22,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 364.92 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 70747534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).