N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C19H30N4O2 — CID 99715154

IUPACN-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCC[C@H]1CCCCO1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(21-10-5-8-18-7-2-4-15-25-18)23-13-11-22(12-14-23)16-17-6-1-3-9-20-17/h1,3,6,9,18H,2,4-5,7-8,10-16H2,(H,21,24)/t18-/m1/s1
InChIKeyLUSJKIXASMWEHC-GOSISDBHSA-N
MW346.48 g/mol
LogP2.26
Rot. Bonds6

About N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 99715154) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID99715154
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCC[C@H]1CCCCO1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(21-10-5-8-18-7-2-4-15-25-18)23-13-11-22(12-14-23)16-17-6-1-3-9-20-17/h1,3,6,9,18H,2,4-5,7-8,10-16H2,(H,21,24)/t18-/m1/s1
InChIKeyLUSJKIXASMWEHC-GOSISDBHSA-N
XLogP2.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
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-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
CID 126430553
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-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
CID 126448550
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 99715154) is N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(NCCC[C@H]1CCCCO1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LUSJKIXASMWEHC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-19(21-10-5-8-18-7-2-4-15-25-18)23-13-11-22(12-14-23)16-17-6-1-3-9-20-17/h1,3,6,9,18H,2,4-5,7-8,10-16H2,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 99715154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).