N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C17H26N4O2 — CID 99708470

IUPACN-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC[C@@H]1CCCO1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(19-8-6-16-5-3-13-23-16)21-11-9-20(10-12-21)14-15-4-1-2-7-18-15/h1-2,4,7,16H,3,5-6,8-14H2,(H,19,22)/t16-/m0/s1
InChIKeyDULHQZANPNJTKH-INIZCTEOSA-N
MW318.42 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 99708470) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID99708470
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC[C@@H]1CCCO1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(19-8-6-16-5-3-13-23-16)21-11-9-20(10-12-21)14-15-4-1-2-7-18-15/h1-2,4,7,16H,3,5-6,8-14H2,(H,19,22)/t16-/m0/s1
InChIKeyDULHQZANPNJTKH-INIZCTEOSA-N
XLogP1.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446
N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethyl)piperazine-1-carbothioamide
CID 133185637
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797425
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 126426454
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
CID 126448550
1-ethyl-3-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]urea
CID 95197566
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 99708470) is N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(NCC[C@@H]1CCCO1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is DULHQZANPNJTKH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(19-8-6-16-5-3-13-23-16)21-11-9-20(10-12-21)14-15-4-1-2-7-18-15/h1-2,4,7,16H,3,5-6,8-14H2,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 99708470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).