(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

C19H31N5O3 — CID 133133235

IUPAC(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H31N5O3/c1-22-7-5-21-17(22)4-3-6-23(2)18(25)15-12-16(14-20-13-15)19(26)24-8-10-27-11-9-24/h5,7,15-16,20H,3-4,6,8-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyWQHYCLQYWHVRTH-HOTGVXAUSA-N
MW377.49 g/mol
LogP-0.10
Rot. Bonds6

About (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 133133235) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID133133235
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H31N5O3/c1-22-7-5-21-17(22)4-3-6-23(2)18(25)15-12-16(14-20-13-15)19(26)24-8-10-27-11-9-24/h5,7,15-16,20H,3-4,6,8-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyWQHYCLQYWHVRTH-HOTGVXAUSA-N
XLogP-0.10
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 135116609
N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 156604820
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 91792038
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 72879018
(3R,5S)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 72882710
[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 56860823
(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 72862355
1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116583786
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63716496
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 133133235) is (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is CN(CCCc1nccn1C)C(=O)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is WQHYCLQYWHVRTH-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-22-7-5-21-17(22)4-3-6-23(2)18(25)15-12-16(14-20-13-15)19(26)24-8-10-27-11-9-24/h5,7,15-16,20H,3-4,6,8-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 133133235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).