N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H33N5O — CID 56906288

IUPACN,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)CCc1cn[nH]c1
InChIInChI=1S/C19H33N5O/c1-4-8-24-15-19(6-10-22(2)11-7-19)12-17(24)18(25)23(3)9-5-16-13-20-21-14-16/h13-14,17H,4-12,15H2,1-3H3,(H,20,21)
InChIKeyMWJXJKHCIRBWKE-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.61
Rot. Bonds6

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

N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56906288) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56906288
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)CCc1cn[nH]c1
InChIInChI=1S/C19H33N5O/c1-4-8-24-15-19(6-10-22(2)11-7-19)12-17(24)18(25)23(3)9-5-16-13-20-21-14-16/h13-14,17H,4-12,15H2,1-3H3,(H,20,21)
InChIKeyMWJXJKHCIRBWKE-UHFFFAOYSA-N
XLogP1.61
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56906288) is N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)CCc1cn[nH]c1.
What is the InChIKey of N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is MWJXJKHCIRBWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-8-24-15-19(6-10-22(2)11-7-19)12-17(24)18(25)23(3)9-5-16-13-20-21-14-16/h13-14,17H,4-12,15H2,1-3H3,(H,20,21).
What are the key properties of N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56906288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).