N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C19H31N5O — CID 60597960

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC1CCN(C(C)CNC(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-16-5-9-22(10-6-16)17(2)15-21-19(25)24-13-11-23(12-14-24)18-3-7-20-8-4-18/h3-4,7-8,16-17H,5-6,9-15H2,1-2H3,(H,21,25)
InChIKeyDMXLWNRBOMIUPY-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.03
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 60597960) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID60597960
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC1CCN(C(C)CNC(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-16-5-9-22(10-6-16)17(2)15-21-19(25)24-13-11-23(12-14-24)18-3-7-20-8-4-18/h3-4,7-8,16-17H,5-6,9-15H2,1-2H3,(H,21,25)
InChIKeyDMXLWNRBOMIUPY-UHFFFAOYSA-N
XLogP2.03
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide
CID 60597940
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51114092
N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 98718256
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 129094175
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 167961771

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 60597960) is N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide is CC1CCN(C(C)CNC(=O)N2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is DMXLWNRBOMIUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-16-5-9-22(10-6-16)17(2)15-21-19(25)24-13-11-23(12-14-24)18-3-7-20-8-4-18/h3-4,7-8,16-17H,5-6,9-15H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 60597960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).