N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide

C19H30N4O2 — CID 154795042

IUPACN',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-23(4-2)19(25)8-7-18(24)21-17-9-12-22(13-10-17)15-16-6-5-11-20-14-16/h5-6,11,14,17H,3-4,7-10,12-13,15H2,1-2H3,(H,21,24)
InChIKeyTUVOEZSLXZJIEJ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.81
Rot. Bonds8

About N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide

N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide (PubChem CID 154795042) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
PubChem CID154795042
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-23(4-2)19(25)8-7-18(24)21-17-9-12-22(13-10-17)15-16-6-5-11-20-14-16/h5-6,11,14,17H,3-4,7-10,12-13,15H2,1-2H3,(H,21,24)
InChIKeyTUVOEZSLXZJIEJ-UHFFFAOYSA-N
XLogP1.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431354
N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 44828326
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
(3S)-3-naphthalen-1-yl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3-pyrrol-1-ylpropanamide
CID 125123917
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543
N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide?
The IUPAC name of N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide (CID 154795042) is N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide.
What is the SMILES notation for N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide?
The canonical SMILES for N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide is CCN(CC)C(=O)CCC(=O)NC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide?
The InChIKey is TUVOEZSLXZJIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-23(4-2)19(25)8-7-18(24)21-17-9-12-22(13-10-17)15-16-6-5-11-20-14-16/h5-6,11,14,17H,3-4,7-10,12-13,15H2,1-2H3,(H,21,24).
What are the key properties of N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide?
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide has a molecular weight of 346.48 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide is sourced from PubChem (CID 154795042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).