4-(3-hydroxypropyl)piperazine-1-carboxamide

C8H17N3O2 — CID 138521354

IUPAC4-(3-hydroxypropyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C8H17N3O2/c9-8(13)11-5-3-10(4-6-11)2-1-7-12/h12H,1-7H2,(H2,9,13)
InChIKeyDLVKDYCZYJZUSH-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.93
Rot. Bonds3

About 4-(3-hydroxypropyl)piperazine-1-carboxamide

4-(3-hydroxypropyl)piperazine-1-carboxamide (PubChem CID 138521354) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxypropyl)piperazine-1-carboxamide
PubChem CID138521354
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-(3-hydroxypropyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C8H17N3O2/c9-8(13)11-5-3-10(4-6-11)2-1-7-12/h12H,1-7H2,(H2,9,13)
InChIKeyDLVKDYCZYJZUSH-UHFFFAOYSA-N
XLogP-0.93
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-nonylpiperazine-1-carboxamide
CID 13213299
4-propylpiperazine-1-carboxamide
CID 16792615
4-(2-chloroethyl)piperazine-1-carboxamide
CID 2757510
4-(3-hydroxypropyl)piperazine-1-carboximidamide
CID 170081980
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
4-(aminomethyl)piperazine-1-carboxamide
CID 22006108
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide
CID 122490706
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
[4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid
CID 54447441
3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 110898395
(3-amino-4-chloro-1H-pyrazol-5-yl)-[4-(4-hydroxybutyl)piperazin-1-yl]methanone
CID 91761562

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxypropyl)piperazine-1-carboxamide (CID 138521354) is 4-(3-hydroxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxypropyl)piperazine-1-carboxamide is NC(=O)N1CCN(CCCO)CC1.
What is the InChIKey of 4-(3-hydroxypropyl)piperazine-1-carboxamide?
The InChIKey is DLVKDYCZYJZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(13)11-5-3-10(4-6-11)2-1-7-12/h12H,1-7H2,(H2,9,13).
What are the key properties of 4-(3-hydroxypropyl)piperazine-1-carboxamide?
4-(3-hydroxypropyl)piperazine-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 138521354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).