N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

C28H39N5O2 — CID 28666705

IUPACN-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NC[C@H](c3ccncc3)N3CCOCC3)CC2)cc1)C1CCCC1
InChIInChI=1S/C28H39N5O2/c34-28(23-3-1-2-4-23)31-25-5-7-26(8-6-25)32-15-11-24(12-16-32)30-21-27(22-9-13-29-14-10-22)33-17-19-35-20-18-33/h5-10,13-14,23-24,27,30H,1-4,11-12,15-21H2,(H,31,34)/t27-/m1/s1
InChIKeyCFVXGJVBASQAFN-HHHXNRCGSA-N
MW477.65 g/mol
LogP3.84
Rot. Bonds8

About N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 28666705) has the molecular formula C28H39N5O2 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
PubChem CID28666705
Molecular FormulaC28H39N5O2
Molecular Weight477.65 g/mol
Exact Mass477.31
IUPAC NameN-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NC[C@H](c3ccncc3)N3CCOCC3)CC2)cc1)C1CCCC1
InChIInChI=1S/C28H39N5O2/c34-28(23-3-1-2-4-23)31-25-5-7-26(8-6-25)32-15-11-24(12-16-32)30-21-27(22-9-13-29-14-10-22)33-17-19-35-20-18-33/h5-10,13-14,23-24,27,30H,1-4,11-12,15-21H2,(H,31,34)/t27-/m1/s1
InChIKeyCFVXGJVBASQAFN-HHHXNRCGSA-N
XLogP3.84
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45233500
N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45203516
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
2-cyclohexyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]acetamide
CID 99927953
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42210836
N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45183357

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (CID 28666705) is N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCC(NC[C@H](c3ccncc3)N3CCOCC3)CC2)cc1)C1CCCC1.
What is the InChIKey of N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is CFVXGJVBASQAFN-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H39N5O2/c34-28(23-3-1-2-4-23)31-25-5-7-26(8-6-25)32-15-11-24(12-16-32)30-21-27(22-9-13-29-14-10-22)33-17-19-35-20-18-33/h5-10,13-14,23-24,27,30H,1-4,11-12,15-21H2,(H,31,34)/t27-/m1/s1.
What are the key properties of N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 477.65 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 28666705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).