(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide

C19H30N4O2 — CID 95326986

IUPAC(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@H](C(=O)NCc2ccnc(N(C)CC)c2)C1
InChIInChI=1S/C19H30N4O2/c1-4-7-18(24)23-11-6-8-16(14-23)19(25)21-13-15-9-10-20-17(12-15)22(3)5-2/h9-10,12,16H,4-8,11,13-14H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyVLBWGYVWZKESQU-INIZCTEOSA-N
MW346.48 g/mol
LogP2.19
Rot. Bonds7

About (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide

(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide (PubChem CID 95326986) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide
PubChem CID95326986
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@H](C(=O)NCc2ccnc(N(C)CC)c2)C1
InChIInChI=1S/C19H30N4O2/c1-4-7-18(24)23-11-6-8-16(14-23)19(25)21-13-15-9-10-20-17(12-15)22(3)5-2/h9-10,12,16H,4-8,11,13-14H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyVLBWGYVWZKESQU-INIZCTEOSA-N
XLogP2.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[3-[[(1-butanoylpiperidine-3-carbonyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629660
1-butanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 60527795
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 55945797
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide
CID 155949004
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
CID 97098486
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 55883722

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide (CID 95326986) is (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide is CCCC(=O)N1CCC[C@H](C(=O)NCc2ccnc(N(C)CC)c2)C1.
What is the InChIKey of (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide?
The InChIKey is VLBWGYVWZKESQU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-7-18(24)23-11-6-8-16(14-23)19(25)21-13-15-9-10-20-17(12-15)22(3)5-2/h9-10,12,16H,4-8,11,13-14H2,1-3H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide?
(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95326986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).