N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C19H31N5O — CID 96516582

IUPACN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H31N5O/c1-2-23-9-4-3-7-18(23)15-21-19(25)24-12-10-22(11-13-24)16-17-6-5-8-20-14-17/h5-6,8,14,18H,2-4,7,9-13,15-16H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyAKGVRLJWLDVBRH-GOSISDBHSA-N
MW345.49 g/mol
LogP1.78
Rot. Bonds5

About N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 96516582) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID96516582
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H31N5O/c1-2-23-9-4-3-7-18(23)15-21-19(25)24-12-10-22(11-13-24)16-17-6-5-8-20-14-17/h5-6,8,14,18H,2-4,7,9-13,15-16H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyAKGVRLJWLDVBRH-GOSISDBHSA-N
XLogP1.78
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
3-cyclopentyl-2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 136525753

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 96516582) is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is CCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is AKGVRLJWLDVBRH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-23-9-4-3-7-18(23)15-21-19(25)24-12-10-22(11-13-24)16-17-6-5-8-20-14-17/h5-6,8,14,18H,2-4,7,9-13,15-16H2,1H3,(H,21,25)/t18-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 96516582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).