(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide

C18H27N5O2 — CID 97191479

IUPAC(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccnc3)CC2)C1
InChIInChI=1S/C18H27N5O2/c1-20(2)18(25)23-8-4-5-15(14-23)17(24)22-11-9-21(10-12-22)16-6-3-7-19-13-16/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3/t15-/m1/s1
InChIKeyBPWUCMCSVZLIQR-OAHLLOKOSA-N
MW345.45 g/mol
LogP1.12
Rot. Bonds2

About (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide

(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 97191479) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
PubChem CID97191479
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccnc3)CC2)C1
InChIInChI=1S/C18H27N5O2/c1-20(2)18(25)23-8-4-5-15(14-23)17(24)22-11-9-21(10-12-22)16-6-3-7-19-13-16/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3/t15-/m1/s1
InChIKeyBPWUCMCSVZLIQR-OAHLLOKOSA-N
XLogP1.12
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 97196453
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
(3S)-3-[4-[(6-chloro-3-pyridinyl)methyl]piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 97201196
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001
2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide (CID 97191479) is (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide is CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccnc3)CC2)C1.
What is the InChIKey of (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is BPWUCMCSVZLIQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-20(2)18(25)23-8-4-5-15(14-23)17(24)22-11-9-21(10-12-22)16-6-3-7-19-13-16/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide?
(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 97191479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).