(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide

C16H27N5O2 — CID 97193249

IUPAC(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCc1cnn(CCCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C16H27N5O2/c1-13-10-18-21(11-13)9-5-7-17-15(22)14-6-4-8-20(12-14)16(23)19(2)3/h10-11,14H,4-9,12H2,1-3H3,(H,17,22)/t14-/m0/s1
InChIKeyDOUCXHSYRBXPTK-AWEZNQCLSA-N
MW321.42 g/mol
LogP1.09
Rot. Bonds5

About (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide

(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide (PubChem CID 97193249) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
PubChem CID97193249
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC Name(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCc1cnn(CCCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C16H27N5O2/c1-13-10-18-21(11-13)9-5-7-17-15(22)14-6-4-8-20(12-14)16(23)19(2)3/h10-11,14H,4-9,12H2,1-3H3,(H,17,22)/t14-/m0/s1
InChIKeyDOUCXHSYRBXPTK-AWEZNQCLSA-N
XLogP1.09
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 72892139
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97207686
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
CID 115628009
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide (CID 97193249) is (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide is Cc1cnn(CCCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1.
What is the InChIKey of (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is DOUCXHSYRBXPTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13-10-18-21(11-13)9-5-7-17-15(22)14-6-4-8-20(12-14)16(23)19(2)3/h10-11,14H,4-9,12H2,1-3H3,(H,17,22)/t14-/m0/s1.
What are the key properties of (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide?
(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97193249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).