1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide

C21H30ClN3O — CID 28849709

IUPAC1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
SMILESCN1CCC(N2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1
InChIInChI=1S/C21H30ClN3O/c1-24-13-8-19(9-14-24)25-12-2-3-18(15-25)23-20(26)21(10-11-21)16-4-6-17(22)7-5-16/h4-7,18-19H,2-3,8-15H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyYJIZJIIIWZEXDQ-SFHVURJKSA-N
MW375.94 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 28849709) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
PubChem CID28849709
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
SMILESCN1CCC(N2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1
InChIInChI=1S/C21H30ClN3O/c1-24-13-8-19(9-14-24)25-12-2-3-18(15-25)23-20(26)21(10-11-21)16-4-6-17(22)7-5-16/h4-7,18-19H,2-3,8-15H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyYJIZJIIIWZEXDQ-SFHVURJKSA-N
XLogP3.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide (CID 28849709) is 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide is CN1CCC(N2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YJIZJIIIWZEXDQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30ClN3O/c1-24-13-8-19(9-14-24)25-12-2-3-18(15-25)23-20(26)21(10-11-21)16-4-6-17(22)7-5-16/h4-7,18-19H,2-3,8-15H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 375.94 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 28849709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).