N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide

C21H30N6O4 — CID 124978722

IUPACN-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)[nH]n1
InChIInChI=1S/C21H30N6O4/c28-18-8-10-22-21(31)27(18)12-9-19(29)26-11-4-3-7-17(26)15-13-16(25-24-15)20(30)23-14-5-1-2-6-14/h13-14,17H,1-12H2,(H,22,31)(H,23,30)(H,24,25)/t17-/m0/s1
InChIKeyLWAFFJXORJIPPP-KRWDZBQOSA-N
MW430.51 g/mol
LogP1.47
Rot. Bonds6

About N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide

N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 124978722) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID124978722
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC NameN-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)[nH]n1
InChIInChI=1S/C21H30N6O4/c28-18-8-10-22-21(31)27(18)12-9-19(29)26-11-4-3-7-17(26)15-13-16(25-24-15)20(30)23-14-5-1-2-6-14/h13-14,17H,1-12H2,(H,22,31)(H,23,30)(H,24,25)/t17-/m0/s1
InChIKeyLWAFFJXORJIPPP-KRWDZBQOSA-N
XLogP1.47
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268950
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
5-(1-benzylpiperidin-2-yl)-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110268851
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 95840522
3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione
CID 72894969
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110268929
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840546
2-(4-fluorophenoxy)-1-[(2R)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840607
3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268966
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 124978722) is N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)[nH]n1.
What is the InChIKey of N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is LWAFFJXORJIPPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N6O4/c28-18-8-10-22-21(31)27(18)12-9-19(29)26-11-4-3-7-17(26)15-13-16(25-24-15)20(30)23-14-5-1-2-6-14/h13-14,17H,1-12H2,(H,22,31)(H,23,30)(H,24,25)/t17-/m0/s1.
What are the key properties of N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 124978722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).