(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H23ClN4O — CID 95713410

IUPAC(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C18H23ClN4O/c19-13-1-2-15-12(7-13)8-14(23-15)10-21-17(24)16-9-18(11-22-16)3-5-20-6-4-18/h1-2,7-8,16,20,22-23H,3-6,9-11H2,(H,21,24)/t16-/m1/s1
InChIKeyWADBYQSQTLHRAZ-MRXNPFEDSA-N
MW346.86 g/mol
LogP2.17
Rot. Bonds3

About (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95713410) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95713410
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C18H23ClN4O/c19-13-1-2-15-12(7-13)8-14(23-15)10-21-17(24)16-9-18(11-22-16)3-5-20-6-4-18/h1-2,7-8,16,20,22-23H,3-6,9-11H2,(H,21,24)/t16-/m1/s1
InChIKeyWADBYQSQTLHRAZ-MRXNPFEDSA-N
XLogP2.17
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95713410) is (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is WADBYQSQTLHRAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-13-1-2-15-12(7-13)8-14(23-15)10-21-17(24)16-9-18(11-22-16)3-5-20-6-4-18/h1-2,7-8,16,20,22-23H,3-6,9-11H2,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95713410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).