N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide

C23H38N4O2 — CID 126462480

IUPACN-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
SMILESCCCCN(C)C(=O)CC[C@H]1CN(Cc2ccncc2)CC[C@H]1N1CCOCC1
InChIInChI=1S/C23H38N4O2/c1-3-4-12-25(2)23(28)6-5-21-19-26(18-20-7-10-24-11-8-20)13-9-22(21)27-14-16-29-17-15-27/h7-8,10-11,21-22H,3-6,9,12-19H2,1-2H3/t21-,22+/m0/s1
InChIKeyKFOIGNUMRVCFNA-FCHUYYIVSA-N
MW402.58 g/mol
LogP2.64
Rot. Bonds9

About N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide

N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 126462480) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
PubChem CID126462480
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC NameN-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
SMILESCCCCN(C)C(=O)CC[C@H]1CN(Cc2ccncc2)CC[C@H]1N1CCOCC1
InChIInChI=1S/C23H38N4O2/c1-3-4-12-25(2)23(28)6-5-21-19-26(18-20-7-10-24-11-8-20)13-9-22(21)27-14-16-29-17-15-27/h7-8,10-11,21-22H,3-6,9,12-19H2,1-2H3/t21-,22+/m0/s1
InChIKeyKFOIGNUMRVCFNA-FCHUYYIVSA-N
XLogP2.64
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 29087455
3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72909440
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]propanamide
CID 118756801
methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
CID 133122136
3-[(3S,4R)-1-[(2-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 29150657
methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 133118133
3-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72896915
N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186040
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-(3-fluorophenyl)propanamide
CID 29216229
3-[(3S,4R)-1-benzyl-4-morpholin-4-ylpiperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 28739752
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[(3,5-dimethoxyphenyl)methyl]propanamide
CID 29084395
methyl 3-[(3S,4R)-1-[(2,6-difluorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 30852454

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide (CID 126462480) is N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide is CCCCN(C)C(=O)CC[C@H]1CN(Cc2ccncc2)CC[C@H]1N1CCOCC1.
What is the InChIKey of N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
The InChIKey is KFOIGNUMRVCFNA-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-3-4-12-25(2)23(28)6-5-21-19-26(18-20-7-10-24-11-8-20)13-9-22(21)27-14-16-29-17-15-27/h7-8,10-11,21-22H,3-6,9,12-19H2,1-2H3/t21-,22+/m0/s1.
What are the key properties of N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 402.58 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 126462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).