4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide

C17H28N4O2 — CID 138019313

IUPAC4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(N(C)CC(C)O)CC2)ccn1
InChIInChI=1S/C17H28N4O2/c1-13-10-15(4-7-18-13)11-19-17(23)21-8-5-16(6-9-21)20(3)12-14(2)22/h4,7,10,14,16,22H,5-6,8-9,11-12H2,1-3H3,(H,19,23)
InChIKeyDEVHCWNSJLUAAB-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.38
Rot. Bonds5

About 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide

4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 138019313) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID138019313
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(N(C)CC(C)O)CC2)ccn1
InChIInChI=1S/C17H28N4O2/c1-13-10-15(4-7-18-13)11-19-17(23)21-8-5-16(6-9-21)20(3)12-14(2)22/h4,7,10,14,16,22H,5-6,8-9,11-12H2,1-3H3,(H,19,23)
InChIKeyDEVHCWNSJLUAAB-UHFFFAOYSA-N
XLogP1.38
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122557299
N-[(2-methyl-4-pyridinyl)methyl]-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 122562490
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87004175
(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
CID 97098486
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
CID 131243847
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 51084434
2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122556170

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide (CID 138019313) is 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide is Cc1cc(CNC(=O)N2CCC(N(C)CC(C)O)CC2)ccn1.
What is the InChIKey of 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is DEVHCWNSJLUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-10-15(4-7-18-13)11-19-17(23)21-8-5-16(6-9-21)20(3)12-14(2)22/h4,7,10,14,16,22H,5-6,8-9,11-12H2,1-3H3,(H,19,23).
What are the key properties of 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide?
4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138019313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).