trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C15H23N5O2 — CID 95590711

IUPACtrans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cn1
InChIInChI=1S/C15H23N5O2/c1-19-8-10(7-17-19)12-6-13(12)15(22)18-11-2-4-20(5-3-11)9-14(16)21/h7-8,11-13H,2-6,9H2,1H3,(H2,16,21)(H,18,22)/t12-,13+/m0/s1
InChIKeyPOLIJVCYKNTANK-QWHCGFSZSA-N
MW305.38 g/mol
LogP-0.41
Rot. Bonds5

About trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95590711) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95590711
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Nametrans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cn1
InChIInChI=1S/C15H23N5O2/c1-19-8-10(7-17-19)12-6-13(12)15(22)18-11-2-4-20(5-3-11)9-14(16)21/h7-8,11-13H,2-6,9H2,1H3,(H2,16,21)(H,18,22)/t12-,13+/m0/s1
InChIKeyPOLIJVCYKNTANK-QWHCGFSZSA-N
XLogP-0.41
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 95589019
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopropane-1-carboxamide
CID 126796439
cis-(1S,2R)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95234864
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936219
(3R,4S)-N-(1-cyclopropylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940157
(3R,4S)-N-(2-methylcyclopropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925495
(3R,4S)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919648
cis-(1S,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307557

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 95590711) is trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cn1.
What is the InChIKey of trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is POLIJVCYKNTANK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-19-8-10(7-17-19)12-6-13(12)15(22)18-11-2-4-20(5-3-11)9-14(16)21/h7-8,11-13H,2-6,9H2,1H3,(H2,16,21)(H,18,22)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95590711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).