(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C21H37N5O — CID 95870272

IUPAC(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)CCCc1cnn(C)c1
InChIInChI=1S/C21H37N5O/c1-5-10-26-17-21(8-12-23(2)13-9-21)14-19(26)20(27)24(3)11-6-7-18-15-22-25(4)16-18/h15-16,19H,5-14,17H2,1-4H3/t19-/m1/s1
InChIKeySPDKJHWUMNMFMQ-LJQANCHMSA-N
MW375.56 g/mol
LogP2.01
Rot. Bonds7

About (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95870272) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95870272
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)CCCc1cnn(C)c1
InChIInChI=1S/C21H37N5O/c1-5-10-26-17-21(8-12-23(2)13-9-21)14-19(26)20(27)24(3)11-6-7-18-15-22-25(4)16-18/h15-16,19H,5-14,17H2,1-4H3/t19-/m1/s1
InChIKeySPDKJHWUMNMFMQ-LJQANCHMSA-N
XLogP2.01
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 ≤ 52.01
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
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-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95868561
(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
8-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910285
(3R)-8-methyl-N-(2-phenylethyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95892201
(3S)-8-methyl-2-propyl-N-(2-pyridin-3-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895228
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 95399063
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
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)-N-[2-(4-chlorophenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895188
(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95877248

Frequently Asked Questions

What is the IUPAC name of (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95870272) is (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)CCCc1cnn(C)c1.
What is the InChIKey of (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is SPDKJHWUMNMFMQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H37N5O/c1-5-10-26-17-21(8-12-23(2)13-9-21)14-19(26)20(27)24(3)11-6-7-18-15-22-25(4)16-18/h15-16,19H,5-14,17H2,1-4H3/t19-/m1/s1.
What are the key properties of (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95870272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).