(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C21H37N5O — CID 95868561

IUPAC(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)[C@H]1CC2(CCN(C)CC2)CN1CCC
InChIInChI=1S/C21H37N5O/c1-5-10-25(16-19-22-9-14-24(19)4)20(27)18-15-21(17-26(18)11-6-2)7-12-23(3)13-8-21/h9,14,18H,5-8,10-13,15-17H2,1-4H3/t18-/m1/s1
InChIKeyVOCPMQCDEPDMHY-GOSISDBHSA-N
MW375.56 g/mol
LogP2.36
Rot. Bonds7

About (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95868561) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95868561
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)[C@H]1CC2(CCN(C)CC2)CN1CCC
InChIInChI=1S/C21H37N5O/c1-5-10-25(16-19-22-9-14-24(19)4)20(27)18-15-21(17-26(18)11-6-2)7-12-23(3)13-8-21/h9,14,18H,5-8,10-13,15-17H2,1-4H3/t18-/m1/s1
InChIKeyVOCPMQCDEPDMHY-GOSISDBHSA-N
XLogP2.36
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95882466
(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95870272
N,8-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56894308
N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56885487
(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871477
8-methyl-2-propyl-N-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911452
(3R)-N,8-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95870218
3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347
8-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903525
8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892074
(3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95870202
(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride
CID 155941008

Frequently Asked Questions

What is the IUPAC name of (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95868561) is (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN(Cc1nccn1C)C(=O)[C@H]1CC2(CCN(C)CC2)CN1CCC.
What is the InChIKey of (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is VOCPMQCDEPDMHY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H37N5O/c1-5-10-25(16-19-22-9-14-24(19)4)20(27)18-15-21(17-26(18)11-6-2)7-12-23(3)13-8-21/h9,14,18H,5-8,10-13,15-17H2,1-4H3/t18-/m1/s1.
What are the key properties of (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95868561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).