10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H28N4O2 — CID 72845672

IUPAC10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccc[nH]2)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H28N4O2/c1-21-11-12-23(18(25)16-3-2-9-20-16)14-19(21)7-6-17(24)22(10-8-19)13-15-4-5-15/h2-3,9,15,20H,4-8,10-14H2,1H3
InChIKeyXPVQNHMXXIHBKZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.56
Rot. Bonds3

About 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72845672) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72845672
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccc[nH]2)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H28N4O2/c1-21-11-12-23(18(25)16-3-2-9-20-16)14-19(21)7-6-17(24)22(10-8-19)13-15-4-5-15/h2-3,9,15,20H,4-8,10-14H2,1H3
InChIKeyXPVQNHMXXIHBKZ-UHFFFAOYSA-N
XLogP1.56
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72898045
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121140
4-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]benzonitrile
CID 72845478
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97191565
(6S)-10-(cyclopropylmethyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195951
(6S)-10-(cyclopropylmethyl)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97200483
N-cyclopentyl-10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70725318
10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72878417
(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97112786
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127057
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97114072
(6S)-10-(cyclopropylmethyl)-4-cyclopropylsulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195348

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72845672) is 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2ccc[nH]2)CC12CCC(=O)N(CC1CC1)CC2.
What is the InChIKey of 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is XPVQNHMXXIHBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-11-12-23(18(25)16-3-2-9-20-16)14-19(21)7-6-17(24)22(10-8-19)13-15-4-5-15/h2-3,9,15,20H,4-8,10-14H2,1H3.
What are the key properties of 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 344.46 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72845672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).