(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H28N4O — CID 97114072

IUPAC(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2ccncc2)C[C@@]12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H28N4O/c1-21-12-13-23(17-5-9-20-10-6-17)15-19(21)7-4-18(24)22(11-8-19)14-16-2-3-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3/t19-/m0/s1
InChIKeyMFCQMODMQIZQHI-IBGZPJMESA-N
MW328.46 g/mol
LogP1.99
Rot. Bonds3

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97114072) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97114072
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2ccncc2)C[C@@]12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H28N4O/c1-21-12-13-23(17-5-9-20-10-6-17)15-19(21)7-4-18(24)22(11-8-19)14-16-2-3-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3/t19-/m0/s1
InChIKeyMFCQMODMQIZQHI-IBGZPJMESA-N
XLogP1.99
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-10-(cyclopropylmethyl)-1-methyl-4-(2-methyl-4-pyridinyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100899695
(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-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97187948
(6R)-10-(cyclopropylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100900253
2-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile
CID 70737212
(6S)-10-(cyclopropylmethyl)-4-cyclopropylsulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195348
(6S)-10-(cyclopropylmethyl)-4-(3-imidazol-1-ylpropyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97113864
2-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 70788738
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121140
10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845672
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97191565
4-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]benzonitrile
CID 72845478

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97114072) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(c2ccncc2)C[C@@]12CCC(=O)N(CC1CC1)CC2.
What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is MFCQMODMQIZQHI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4O/c1-21-12-13-23(17-5-9-20-10-6-17)15-19(21)7-4-18(24)22(11-8-19)14-16-2-3-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3/t19-/m0/s1.
What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 328.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97114072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).