(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H31N5O — CID 95882466

IUPAC(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)Cc1ccncn1
InChIInChI=1S/C19H31N5O/c1-4-9-24-14-19(6-10-22(2)11-7-19)12-17(24)18(25)23(3)13-16-5-8-20-15-21-16/h5,8,15,17H,4,6-7,9-14H2,1-3H3/t17-/m1/s1
InChIKeyZRPBXOWSQVXEAY-QGZVFWFLSA-N
MW345.49 g/mol
LogP1.63
Rot. Bonds5

About (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95882466) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95882466
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)Cc1ccncn1
InChIInChI=1S/C19H31N5O/c1-4-9-24-14-19(6-10-22(2)11-7-19)12-17(24)18(25)23(3)13-16-5-8-20-15-21-16/h5,8,15,17H,4,6-7,9-14H2,1-3H3/t17-/m1/s1
InChIKeyZRPBXOWSQVXEAY-QGZVFWFLSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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)-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
(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95870272
(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95868561
8-methyl-2-propyl-N-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911452
(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871477
(3S)-8-methyl-2-propyl-N-(2-pyridin-3-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895228
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
(3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95870202
(3R)-8-methyl-N-(2-phenylethyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95892201
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95880584

Frequently Asked Questions

What is the IUPAC name of (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95882466) is (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)Cc1ccncn1.
What is the InChIKey of (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is ZRPBXOWSQVXEAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O/c1-4-9-24-14-19(6-10-22(2)11-7-19)12-17(24)18(25)23(3)13-16-5-8-20-15-21-16/h5,8,15,17H,4,6-7,9-14H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95882466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).