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

C19H31N5O3 — CID 72838854

IUPAC(3R,5R)-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-/m1/s1
InChIKeyWQHYCLQYWHVRTH-HZPDHXFCSA-N
MW377.49 g/mol
LogP-0.10
Rot. Bonds6

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

(3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72838854) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72838854
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name(3R,5R)-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-/m1/s1
InChIKeyWQHYCLQYWHVRTH-HZPDHXFCSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72838854) is (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-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 (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is WQHYCLQYWHVRTH-HZPDHXFCSA-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-/m1/s1.
What are the key properties of (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5R)-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 (3R,5R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72838854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).