N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

C19H28N4O2 — CID 167931722

IUPACN-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCC[C@@H]3C[C@H]3C3CC3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-25-17-5-9-21-19(22-17)23-10-6-14(7-11-23)18(24)20-8-4-15-12-16(15)13-2-3-13/h5,9,13-16H,2-4,6-8,10-12H2,1H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyNTKPPILYRGDPHT-CVEARBPZSA-N
MW344.46 g/mol
LogP2.25
Rot. Bonds7

About N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 167931722) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID167931722
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCC[C@@H]3C[C@H]3C3CC3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-25-17-5-9-21-19(22-17)23-10-6-14(7-11-23)18(24)20-8-4-15-12-16(15)13-2-3-13/h5,9,13-16H,2-4,6-8,10-12H2,1H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyNTKPPILYRGDPHT-CVEARBPZSA-N
XLogP2.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
N-[2-(1H-imidazol-2-yl)ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126774946
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 78890379
N-[3-(azepan-1-yl)butyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102221
1-(4-methoxypyrimidin-2-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]piperidine-4-carboxamide
CID 87032452
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
(2S)-1-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125147498

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (CID 167931722) is N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)NCC[C@@H]3C[C@H]3C3CC3)CC2)n1.
What is the InChIKey of N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is NTKPPILYRGDPHT-CVEARBPZSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-25-17-5-9-21-19(22-17)23-10-6-14(7-11-23)18(24)20-8-4-15-12-16(15)13-2-3-13/h5,9,13-16H,2-4,6-8,10-12H2,1H3,(H,20,24)/t15-,16+/m1/s1.
What are the key properties of N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167931722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).