(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H35N5O — CID 97114851

IUPAC(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCn1ccnc1CN1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1
InChIInChI=1S/C21H35N5O/c1-3-10-25-12-9-22-19(25)16-24-14-13-23(2)21(17-24)7-6-20(27)26(11-8-21)15-18-4-5-18/h9,12,18H,3-8,10-11,13-17H2,1-2H3/t21-/m0/s1
InChIKeySTSCYWXWVVIESN-NRFANRHFSA-N
MW373.55 g/mol
LogP2.20
Rot. Bonds6

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97114851) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97114851
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCn1ccnc1CN1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1
InChIInChI=1S/C21H35N5O/c1-3-10-25-12-9-22-19(25)16-24-14-13-23(2)21(17-24)7-6-20(27)26(11-8-21)15-18-4-5-18/h9,12,18H,3-8,10-11,13-17H2,1-2H3/t21-/m0/s1
InChIKeySTSCYWXWVVIESN-NRFANRHFSA-N
XLogP2.20
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97114851) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CCCn1ccnc1CN1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1.
What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is STSCYWXWVVIESN-NRFANRHFSA-N. The full InChI is InChI=1S/C21H35N5O/c1-3-10-25-12-9-22-19(25)16-24-14-13-23(2)21(17-24)7-6-20(27)26(11-8-21)15-18-4-5-18/h9,12,18H,3-8,10-11,13-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 373.55 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97114851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).