N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

C17H32N4O3 — CID 164640504

IUPACN-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
SMILESCCC[C@H](CC)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C17H32N4O3/c1-3-5-15(4-2)18-17(23)21-8-6-20(7-9-21)16(22)14-19-10-12-24-13-11-19/h15H,3-14H2,1-2H3,(H,18,23)/t15-/m0/s1
InChIKeySFOJKIBLHDXNSC-HNNXBMFYSA-N
MW340.47 g/mol
LogP0.75
Rot. Bonds6

About N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide (PubChem CID 164640504) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
PubChem CID164640504
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC NameN-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
SMILESCCC[C@H](CC)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C17H32N4O3/c1-3-5-15(4-2)18-17(23)21-8-6-20(7-9-21)16(22)14-19-10-12-24-13-11-19/h15H,3-14H2,1-2H3,(H,18,23)/t15-/m0/s1
InChIKeySFOJKIBLHDXNSC-HNNXBMFYSA-N
XLogP0.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide (CID 164640504) is N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide is CCC[C@H](CC)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The InChIKey is SFOJKIBLHDXNSC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-3-5-15(4-2)18-17(23)21-8-6-20(7-9-21)16(22)14-19-10-12-24-13-11-19/h15H,3-14H2,1-2H3,(H,18,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 164640504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).