N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide

C16H21ClN2O2 — CID 53319608

IUPACN-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cc(N2CCC[C@H](NC(=O)C3CC3)C2)ccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-21-15-9-13(6-7-14(15)17)19-8-2-3-12(10-19)18-16(20)11-4-5-11/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyTUUGPJBZPMPVKP-LBPRGKRZSA-N
MW308.81 g/mol
LogP2.84
Rot. Bonds4

About N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 53319608) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID53319608
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cc(N2CCC[C@H](NC(=O)C3CC3)C2)ccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-21-15-9-13(6-7-14(15)17)19-8-2-3-12(10-19)18-16(20)11-4-5-11/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyTUUGPJBZPMPVKP-LBPRGKRZSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (CID 53319608) is N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is COc1cc(N2CCC[C@H](NC(=O)C3CC3)C2)ccc1Cl.
What is the InChIKey of N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is TUUGPJBZPMPVKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-21-15-9-13(6-7-14(15)17)19-8-2-3-12(10-19)18-16(20)11-4-5-11/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53319608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).