N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide

C20H24ClN3OS — CID 126465309

IUPACN-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3ccc(Cl)s3)CC2)c1)C1CC1
InChIInChI=1S/C20H24ClN3OS/c21-19-7-6-18(26-19)13-22-15-8-10-24(11-9-15)17-3-1-2-16(12-17)23-20(25)14-4-5-14/h1-3,6-7,12,14-15,22H,4-5,8-11,13H2,(H,23,25)
InChIKeyNQWWKVAXHUIINI-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.51
Rot. Bonds6

About N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide

N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 126465309) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID126465309
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC NameN-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3ccc(Cl)s3)CC2)c1)C1CC1
InChIInChI=1S/C20H24ClN3OS/c21-19-7-6-18(26-19)13-22-15-8-10-24(11-9-15)17-3-1-2-16(12-17)23-20(25)14-4-5-14/h1-3,6-7,12,14-15,22H,4-5,8-11,13H2,(H,23,25)
InChIKeyNQWWKVAXHUIINI-UHFFFAOYSA-N
XLogP4.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]phenyl]cyclopropanecarboxamide
CID 26401273
N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42210836
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 25294297
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42433832

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide (CID 126465309) is N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(N2CCC(NCc3ccc(Cl)s3)CC2)c1)C1CC1.
What is the InChIKey of N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is NQWWKVAXHUIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c21-19-7-6-18(26-19)13-22-15-8-10-24(11-9-15)17-3-1-2-16(12-17)23-20(25)14-4-5-14/h1-3,6-7,12,14-15,22H,4-5,8-11,13H2,(H,23,25).
What are the key properties of N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide?
N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 389.95 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 126465309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).